CID 50853301

1221792-81-9

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1CC(C2=CC=CC=C2C1C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO4/c28-25(29)22-13-14-24(21-12-6-5-11-20(21)22)27-26(30)31-15-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1-12,22-24H,13-15H2,(H,27,30)(H,28,29)
InChIKey
JEVWENZFSHWYMJ-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 196.0
[M+Na]+ 436.15194 200.4
[M-H]- 412.15544 203.1
[M+NH4]+ 431.19654 209.3
[M+K]+ 452.12588 194.6
[M+H-H2O]+ 396.15998 187.3
[M+HCOO]- 458.16092 211.4
[M+CH3COO]- 472.17657 204.1
[M+Na-2H]- 434.13739 197.3
[M]+ 413.16217 195.0
[M]- 413.16327 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.